4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid

C10H14F3N3O3 — CID 175969544

IUPAC4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)7-5-16(8(17)14-7)6-1-3-15(4-2-6)9(18)19/h6-7H,1-5H2,(H,14,17)(H,18,19)
InChIKeyIOESAHXJQOYMNR-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.08
Rot. Bonds1

About 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid

4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid (PubChem CID 175969544) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid
PubChem CID175969544
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)7-5-16(8(17)14-7)6-1-3-15(4-2-6)9(18)19/h6-7H,1-5H2,(H,14,17)(H,18,19)
InChIKeyIOESAHXJQOYMNR-UHFFFAOYSA-N
XLogP1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid (CID 175969544) is 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(N2CC(C(F)(F)F)NC2=O)CC1.
What is the InChIKey of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is IOESAHXJQOYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)7-5-16(8(17)14-7)6-1-3-15(4-2-6)9(18)19/h6-7H,1-5H2,(H,14,17)(H,18,19).
What are the key properties of 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid?
4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 281.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175969544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).